2-(benzyl)-1,3-dioxepane | 62581-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧环庚烷
• 英文名称: 2-(benzyl)-1,3-dioxepane
• 英文别名: 2-benzyl-[1,3]dioxepane；2-Benzyl-1,3-dioxepan；2-Benzyl-1,3-dioxepane
• CAS: 62581-40-2
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: FIXAVJPGCQZCRA-UHFFFAOYSA-N

物化性质

• 沸点：
  106-110 °C(Press: 4 Torr)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,4-丁二醇 、 苯乙醛 在 sulfonic acid-functionalized mesoporous chromium (III)terephthalate 作用下， 以 环己烷 为溶剂， 反应 4.0h， 以88.7%的产率得到2-(benzyl)-1,3-dioxepane
  参考文献：
  名称：

  Synthesis of sulfonic acid-functionalized MIL-101 for acetalization of aldehydes with diols

  摘要：

  A metal-organic framework (MOF) MIL-101 bearing sulfonic acid groups (SO3 H-MIL-101), was prepared through one-pot hydrothermal synthesis strategy. This MOF was systemically characterized via XRD, N-2 adsorption, acid-base titration, XPS, FT-IR techniques, and elemental analysis, and then used as a heterogeneous catalyst for liquid-phase acetalizations of various aldehydes with diols. The obtained SO3H-MIL-101 shows high catalytic activity in the acetalizations due to the high utilization efficiency of its functionalized acid sites. Additionally, this catalyst can be easily recovered and reused five times in succession without significant loss of catalytic activity. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2013.12.005

文献信息

• [EN] NEW BICYCLIC ANGIOTENSIN II AGONISTS<br/>[FR] NOUVEAUX AGONISTES BICYCLIQUES D'ANGIOTENSINE II
  申请人：VICORE PHARMA AB

  公开号：WO2004046128A1

  公开（公告）日：2004-06-03

  There is provided compounds of formula (I), wherein R1a, R1b, n, Y1, Y2, Y3, Y4, Z1, Z2, R2 and R3 have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful as selective agonists of the AT2 receptor, and thus, in particular, in the treatment of inter alia gastrointestinal conditions, such as dyspepsia, IBS and MOF, and cardiovascular disorders.

  提供了式(I)的化合物，其中R1a、R1b、n、Y1、Y2、Y3、Y4、Z1、Z2、R2和R3的含义如描述中所示，以及其药用盐，这些化合物可用作AT2受体的选择性激动剂，因此特别适用于治疗包括消化不良、肠易激综合征和多器官功能障碍在内的胃肠道疾病以及心血管疾病。
• TROPAN COMPOUND
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1785421A1

  公开（公告）日：2007-05-16

  The conventional anticholinergic drugs for administration through inhalation have been considered to have the possibility of aggravating dysuria associated with prostatic hyperplasia mediated by blood, and it has been demanded that the conventional anticholinergic drugs for administration through inhalation will have to show reduced side effects or adverse ractions. The present invention relates to a compound represented by the general formula (I): (wherein A represents; and R1, R2, R3 and R1 each a hydrogen atom or a substituent; R5 is a substituent; X- is an anion;the symbol: denotes an exo-form or endo-form, or their mixture), its salt or solvation product thereof. They are useful as a prophylactic and/or therapeutic agent with reduced side effects or adverse reactions for the diseases mediated by the muscarinic receptor.

  传统的抗胆碱药物通过吸入给药被认为可能加重与前列腺增生相关的排尿困难，并要求传统的抗胆碱药物通过吸入给药必须显示减少副作用或不良反应。 本发明涉及一种由通式（I）表示的化合物： （其中A代表; 和R1、R2、R3和R1分别是氢原子或取代基; R5是取代基; X-是阴离子;符号: 表示外向型或内向型，或它们的混合物），其盐或溶剂化产物。它们可用作通过胆碱受体介导的疾病的预防和/或治疗剂，具有减少副作用或不良反应。
• Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias
  申请人：——

  公开号：US20020137766A1

  公开（公告）日：2002-09-26

  There is provided compounds of formula (I), wherein R 1 , R 2 , R 3 and R a to R h have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias, a process for the preparation of compounds of formula (I), and intermediate compounds.

  提供了一种通式(I)的化合物，其中R1、R2、R3以及Ra至Rh具有说明书中给出的含义，这些化合物在预防和治疗心律失常，特别是房性和室性心律失常方面具有用途；还提供了一种制备通式(I)化合物的方法以及中间体化合物。
• HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME
  申请人：EA PHARMA CO., LTD.

  公开号：US20160332999A1

  公开（公告）日：2016-11-17

  The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the DESCRIPTION, or a pharmaceutically acceptable salt thereof. The compound has a superior TRPA1 antagonist activity, and can provide a medicament useful for the prophylaxis or treatment of diseases involving TRPA1 antagonist and TRPA1.

  本发明提供了一种由公式(I)表示的化合物： 其中，每个符号如说明书中所定义，或者其药用可接受的盐。该化合物具有优越的TRPA1拮抗剂活性，并且可以提供一种用于预防或治疗涉及TRPA1拮抗剂和TRPA1的疾病的药物。
• [EN] NEW TRICYCLIC ANGIOTENSIN II AGONISTS<br/>[FR] NOUVEAUX AGONISTES TRICYCLIQUES DE L'ANGIOTENSINE II
  申请人：VICORE PHARMA AB

  公开号：WO2004046137A1

  公开（公告）日：2004-06-03

  There is provided compounds of formula (I), wherein the dotted line, X1, X2, X3, A, Y1, Y2, Y3, Y4, Z1, Z2, R2 and R3 have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful as selective agonists of the AT2 receptor, and thus, in particular, in the treatment of inter alia gastrointestinal conditions, such as dyspepsia, IBS and MOF, and cardiovascular disorders

  提供了具有式（I）的化合物，其中虚线，X1，X2，X3，A，Y1，Y2，Y3，Y4，Z1，Z2，R2和R3的含义如描述中所给，并且其药学上可接受的盐，这些化合物可用作AT2受体的选择性激动剂，因此，特别适用于治疗包括消化不良、肠易激综合征和多器官功能衰竭在内的胃肠道疾病和心血管疾病。